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Home > Bromides > 1255574-48-1
1255574-48-1 | Benzoic acid, 3-bromo-5-(1-methylethoxy)-, methyl ester
CAS No: 1255574-48-1 Catalog No: AG000NUE MDL No:MFCD17926492
Product Description
Catalog Number:
AG000NUE
Chemical Name:
Benzoic acid, 3-bromo-5-(1-methylethoxy)-, methyl ester
CAS Number:
1255574-48-1
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD17926492
IUPAC Name:
methyl 3-bromo-5-propan-2-yloxybenzoate
InChI:
InChI=1S/C11H13BrO3/c1-7(2)15-10-5-8(11(13)14-3)4-9(12)6-10/h4-7H,1-3H3
InChI Key:
ITWYJGXJJZTWSQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC(C)C)cc(c1)Br
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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